C0E
Summary
| Name: | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid |
| Formula: | C12 H8 F2 O4 |
| Formal charge: | 0 |
| Formula weight: | 254.186 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z,4E)-3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxo-hexa-2,4-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccc(F)cc1)\C=CC(/F)=C(/O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)\C(O)=C(\F)/C=C/C(=O)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.341 | OC(=O)C(O)=C(F)C=CC(=O)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F |
| InChI | InChI | 1.03 | InChI=1S/C12H8F2O4/c13-8-3-1-7(2-4-8)10(15)6-5-9(14)11(16)12(17)18/h1-6,16H,(H,17,18)/b6-5+,11-9- |
| InChIKey | InChI | 1.03 | CPZFGNOKCMJZFO-BTHQEHEQSA-N |
